https:\/\/doi.org\/10.1063\/5.0280806<\/a><\/p>\n\u0160KOR\u0147A, Peter<\/span><\/u>** – JANKOVI\u010c, \u013dubo\u0161<\/u> – SCHOLTZOV\u00c1, Eva<\/u><\/span> – TUNEGA, Daniel. Perchlorate and periodate adsorption by tetrahexylphosphonium-modified beidellite clay. In Journal of Molecular Structure, 2025, vol. 1349, art no. 143771. (2024: 4.7 – IF, Q2 – JCR, 0.628 – SJR, Q2 – SJR). ISSN 0022-2860. Dostupn\u00e9 na: https:\/\/doi.org\/10.1016\/j.molstruc.2025.143771<\/a><\/p>\n <\/p>\n
N\u00e1rodn\u00e9 a medzin\u00e1rodn\u00e9 projekty<\/h2>\n
\n\n\n Relativistick\u00e9 vplyvy na magnetick\u00fa odozvu <\/strong><\/td>\n<\/tr>\n\n (Relativistic Effects on Magnetic Response)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | DS-FR-24-0049<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e<\/td>\n | Mgr. Stanislav Komorovsk\u00fd, PhD.<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 07\/2025-06\/2027<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\nV\u00fdvoj pokro\u010dil\u00fdch met\u00f3d ur\u010den\u00fdch na presn\u00fa predpove\u010f a anal\u00fdzu r\u00f6ntgenov\u00fdch spektier molek\u00fal s otvorenou ob\u00e1lkou \u00a0<\/strong><\/td>\n<\/tr>\n\n (Development of advanced methods for accurate prediction and analysis of X-ray spectra of open-shell species)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | APVV-22-0488<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e<\/td>\n | Mgr. Stanislav Komorovsk\u00fd, PhD.<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 07\/2023-06\/2027<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\n Pokro\u010dil\u00e9 modelovanie interakci\u00ed svetlo-hmota na exascale superpo\u010d\u00edta\u010doch bl\u00edzkej bud\u00facnosti <\/strong><\/td>\n<\/tr>\n\n (Advanced Modelling of Light-Matter Interactions on Near-Term ExaScale Supercomputers)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | Pl\u00e1n obnovy SR 09I05-03-V02-00034<\/td>\n<\/tr>\n | \n| Koordin\u00e1tor:<\/td>\n | Pr\u00edrodovedeck\u00e1 fakulta UK, Bratislava<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e \u00daACH:<\/td>\n | Mgr. Stanislav Komorovsk\u00fd<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 01\/2024-08\/2026<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\nVplyv \u0161truktur\u00e1lnych substit\u00faci\u00ed na vlastnosti anorganick\u00fdch vrstven\u00fdch \u0161trukt\u00far, z\u00e1klad pre at\u00f3movo navrhnut\u00e9 pokro\u010dil\u00e9 materi\u00e1ly pre zelen\u00e9 technologick\u00e9 aplik\u00e1cie, \u0161tudovan\u00e9 modelov\u00fdm pr\u00edstupom <\/strong><\/td>\n<\/tr>\n\n (Effect of structural substitutions on properties of inorganic layered structures, a basis for atomically designed advanced materials for green technological applications, studied by modelling approach)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | Slovakia\u2019s Recovery and Resilience Plan 09I03-03-V04-00009<\/td>\n<\/tr>\n | \n| Koordin\u00e1tor projektu<\/td>\n | \u00daACH SAV, v.v.i.<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e \u00daACH<\/td>\n | Ing. Eva Scholtzov\u00e1, PhD.<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 09\/2024 – 08\/2026<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\n Demon\u0161tr\u00e1cia viazania cez priestor \u0161\u00edren\u00e9ho \u043f-orbit\u00e1lmi <\/strong><\/td>\n<\/tr>\n\n (Study of C-C Coupling Propagated by \u043f -Orbitals)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | Pl\u00e1n obnovy SR <\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e \u00daACH:<\/td>\n | Florian Andreas Lemken, PhD.<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 06\/2025-06\/2026<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\nPokro\u010dil\u00e9 materi\u00e1ly na b\u00e1ze anorganick\u00fdch vrstevnat\u00fdch \u0161trukt\u00far \u0161tudovan\u00e9 modelov\u00fdm a experiment\u00e1lnym pr\u00edstupom<\/strong><\/td>\n<\/tr>\n\n (Pokro\u010dil\u00e9 materi\u00e1ly na b\u00e1ze anorganick\u00fdch vrstevnat\u00fdch \u0161trukt\u00far \u0161tudovan\u00e9 modelov\u00fdm a experiment\u00e1lnym pr\u00edstupom)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | VEGA 2\/0026\/23<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e:<\/td>\n | Ing. Eva Scholtzov\u00e1, CSc.<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 01\/2023-12\/2026<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n\n\n\n Pokrok vo v\u00fdpo\u010dte a interpret\u00e1cii parametrov magnetickej rezonancie na nerelativistickej ako aj relativistickej \u00farovni <\/strong><\/td>\n<\/tr>\n\n (Advancing in calculation and interpretation of magnetic resonance parameters at both non-relativistic and relativistic levels of theory)<\/em><\/td>\n<\/tr>\n\n| Program:<\/td>\n | VEGA 2\/0118\/25<\/td>\n<\/tr>\n | \n| Zodpovedn\u00fd rie\u0161ite\u013e:<\/td>\n | Mgr. Stanislav Komorovsk\u00fd<\/td>\n<\/tr>\n | \n| Trvanie projektu:<\/td>\n | 01\/2025-12\/2028<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n <\/p>\n Spolupr\u00e1ca so zahrani\u010dn\u00fdmi in\u0161tit\u00faciami<\/h2>\n\n- Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, UiT \u2013 The Arctic University of Norway, Troms\u00f8, N\u00f3rsko<\/li>\n
- CEITEC \u2013 Central European Institute of Technology, Faculty of Science, Masaryk University, Brno, \u010cesk\u00e1 republika<\/li>\n
- Center of Polymer Systems, University Institute, Tomas Bata University in Zl\u00edn, Zl\u00edn, \u010cesk\u00e1 republika<\/li>\n
- School of Chemistry, St Andrews University, St Andrews, Spojen\u00e9 kr\u00e1\u013eovstvo<\/li>\n
- ICMUB Institut de Chimie Mol\u00e9culaire de l’Universit\u00e9 de Bourgogne, Dijon, Franc\u00fazsko<\/li>\n
- Quantum Chemistry, Institute of Chemistry, Technische Universit\u00e4t Berlin, Berl\u00edn, Nemecko<\/li>\n
- Chemistry of Materials, Paris-Lodron-University Salzburg, Salzburg, Rak\u00fasko<\/li>\n
- Paul Sabatier University – Toulouse III – Laboratoire de Chimie et Physique Quantiques, Toulouse, Franc\u00fazsko<\/li>\n
- Jerzy Haber Institute of Catalysis and Surface Chemistry, Polish Academy of Sciences, Krakow, Po\u013esko<\/li>\n
- Charles University, Faculty of Mathematics and Physics, Department of Chemical Physics and Optics, Praha, \u010cesk\u00e1 republika<\/li>\n
- University of Patras,\u00a0 Department\u00a0 of\u00a0 Geology, Patras, Gr\u00e9cko<\/li>\n
- Justus-Liebig University Giessen, Institute of Soil Science and Soil Conservation, Giessen, Nemecko<\/li>\n<\/ul>\n","protected":false},"excerpt":{"rendered":"
Oddelenie teoretickej ch\u00e9mie sa zaober\u00e1 tromi hlavn\u00fdmi oblas\u0165ami v\u00fdskumu. Prv\u00e1 oblas\u0165 sa venuje v\u00fdvoju programov\u00e9ho bal\u00edka ReSpect (respectprogram.org) ur\u010den\u00e9ho na v\u00fdpo\u010dty a anal\u00fdzu magnetick\u00fdch a…<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":47,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":"","_links_to":"","_links_to_target":""},"class_list":["post-597","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/pages\/597","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/comments?post=597"}],"version-history":[{"count":49,"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/pages\/597\/revisions"}],"predecessor-version":[{"id":4218,"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/pages\/597\/revisions\/4218"}],"up":[{"embeddable":true,"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/pages\/47"}],"wp:attachment":[{"href":"https:\/\/uach.sav.sk\/sk\/wp-json\/wp\/v2\/media?parent=597"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}} | | | | | | | | | | | | | | | | | | | | |
![\"\"](\"http:\/\/www.uach.sav.sk\/sk\/wp-content\/uploads\/sites\/2\/2022-OTCH-up1-300x200.jpg\")
Oddelenie teoretickej ch\u00e9mie sa zaober\u00e1 tromi hlavn\u00fdmi oblas\u0165ami v\u00fdskumu. Prv\u00e1 oblas\u0165 sa venuje v\u00fdvoju programov\u00e9ho bal\u00edka ReSpect (respectprogram.org) ur\u010den\u00e9ho na v\u00fdpo\u010dty a anal\u00fdzu magnetick\u00fdch a elektrick\u00fdch vlastnost\u00ed syst\u00e9mov obsahuj\u00facich \u0165a\u017ek\u00e9 prvky so zahrnut\u00edm relativistick\u00fdch efektov. Toto napr\u00edklad zah\u0155\u0148a v\u00fdpo\u010dty NMR a EPR parametrov organokovov, biologicky a katalyticky akt\u00edvnych l\u00e1tok. Cie\u013eom druh\u00e9ho v\u00fdskumn\u00e9ho smeru je kombinovanie experiment\u00e1lnych met\u00f3d (napr. Rtg-met\u00f3dy a FTIC spektroskopie) s presn\u00fdmi DFT v\u00fdpo\u010dtami v tuhej f\u00e1ze aby sa z\u00edskali nov\u00e9 inform\u00e1cie o fyzik\u00e1lnochemick\u00fdch a mechanick\u00fdch vlastnostiach hybridn\u00fdch nanomateri\u00e1lov (napr. organo\u00edlov). V\u00fdskumn\u00e9 aktivity tretej oblasti s\u00fa zameran\u00e9 na v\u00fdvoj modern\u00fdch v\u00fdpo\u010dtov\u00fdch met\u00f3d, ktor\u00e9 sa zaoberaj\u00fa elektr\u00f3novou korel\u00e1ciou v molekul\u00e1ch a tuh\u00fdch l\u00e1tkach.<\/p>\n